N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-nitrobenzenesulfonamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-nitrobenzenesulfonamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-14-9-7-11(8-10-14)15(2)21(19,20)13-6-4-3-5-12(13)16(17)18/h3-6,11H,7-10H2,1-2H3/p+1